N-(3,5-dimethoxyphenyl)-2-[methyl-(3-oxo-3-piperazin-1-ylpropyl)amino]acetamide;hydrochloride

C18H29ClN4O4 — CID 120982133

IUPACN-(3,5-dimethoxyphenyl)-2-[methyl-(3-oxo-3-piperazin-1-ylpropyl)amino]acetamide;hydrochloride
SMILESCOc1cc(NC(=O)CN(C)CCC(=O)N2CCNCC2)cc(OC)c1.Cl
InChIInChI=1S/C18H28N4O4.ClH/c1-21(7-4-18(24)22-8-5-19-6-9-22)13-17(23)20-14-10-15(25-2)12-16(11-14)26-3;/h10-12,19H,4-9,13H2,1-3H3,(H,20,23);1H
InChIKeyXHKKUMIRSABOIO-UHFFFAOYSA-N
MW400.91 g/mol
LogP0.82
Rot. Bonds8

About N-(3,5-dimethoxyphenyl)-2-[methyl-(3-oxo-3-piperazin-1-ylpropyl)amino]acetamide;hydrochloride

N-(3,5-dimethoxyphenyl)-2-[methyl-(3-oxo-3-piperazin-1-ylpropyl)amino]acetamide;hydrochloride (PubChem CID 120982133) has the molecular formula C18H29ClN4O4 and a molecular weight of 400.91 g/mol. Its IUPAC name is N-(3,5-dimethoxyphenyl)-2-[methyl-(3-oxo-3-piperazin-1-ylpropyl)amino]acetamide;hydrochloride.

Molecular Properties

Compound NameN-(3,5-dimethoxyphenyl)-2-[methyl-(3-oxo-3-piperazin-1-ylpropyl)amino]acetamide;hydrochloride
PubChem CID120982133
Molecular FormulaC18H29ClN4O4
Molecular Weight400.91 g/mol
Exact Mass400.19
IUPAC NameN-(3,5-dimethoxyphenyl)-2-[methyl-(3-oxo-3-piperazin-1-ylpropyl)amino]acetamide;hydrochloride
SMILESCOc1cc(NC(=O)CN(C)CCC(=O)N2CCNCC2)cc(OC)c1.Cl
InChIInChI=1S/C18H28N4O4.ClH/c1-21(7-4-18(24)22-8-5-19-6-9-22)13-17(23)20-14-10-15(25-2)12-16(11-14)26-3;/h10-12,19H,4-9,13H2,1-3H3,(H,20,23);1H
InChIKeyXHKKUMIRSABOIO-UHFFFAOYSA-N
XLogP0.82
TPSA83.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.91
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-methoxyphenyl)-2-[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]acetamide;hydrochloride
CID 119915137
2-[methyl-(3-oxo-3-piperazin-1-ylpropyl)amino]-N-(4-methylphenyl)acetamide;hydrochloride
CID 120980303
4-[[2-(3,5-dimethoxyanilino)-2-oxoethyl]-methylamino]butanoic acid
CID 119994299
N-(3-chlorophenyl)-2-[methyl-(3-oxo-3-piperazin-1-ylpropyl)amino]acetamide
CID 120981027
N-(3-fluorophenyl)-2-[methyl-(3-oxo-3-piperazin-1-ylpropyl)amino]acetamide
CID 120980407
4-(4-acetylpiperazin-1-yl)-N-(3,5-dimethoxyphenyl)-4-oxobutanamide
CID 7602926
N-(3-chloro-4-methoxyphenyl)-2-[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]acetamide
CID 119915267
N-(4-bromophenyl)-2-[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]acetamide;hydrochloride
CID 119914945
2-[(4-methoxyphenyl)methyl-methylamino]-1-piperazin-1-ylethanone;hydrochloride
CID 119929401
3-[(4-fluorophenyl)methyl-methylamino]-1-piperazin-1-ylpropan-1-one;hydrochloride
CID 120980411
2-[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]-N-(4-propan-2-ylphenyl)acetamide;hydrochloride
CID 119915334
N-(2,3-dihydro-1H-inden-5-yl)-2-[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]acetamide
CID 119915417

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethoxyphenyl)-2-[methyl-(3-oxo-3-piperazin-1-ylpropyl)amino]acetamide;hydrochloride?
The IUPAC name of N-(3,5-dimethoxyphenyl)-2-[methyl-(3-oxo-3-piperazin-1-ylpropyl)amino]acetamide;hydrochloride (CID 120982133) is N-(3,5-dimethoxyphenyl)-2-[methyl-(3-oxo-3-piperazin-1-ylpropyl)amino]acetamide;hydrochloride.
What is the SMILES notation for N-(3,5-dimethoxyphenyl)-2-[methyl-(3-oxo-3-piperazin-1-ylpropyl)amino]acetamide;hydrochloride?
The canonical SMILES for N-(3,5-dimethoxyphenyl)-2-[methyl-(3-oxo-3-piperazin-1-ylpropyl)amino]acetamide;hydrochloride is COc1cc(NC(=O)CN(C)CCC(=O)N2CCNCC2)cc(OC)c1.Cl.
What is the InChIKey of N-(3,5-dimethoxyphenyl)-2-[methyl-(3-oxo-3-piperazin-1-ylpropyl)amino]acetamide;hydrochloride?
The InChIKey is XHKKUMIRSABOIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O4.ClH/c1-21(7-4-18(24)22-8-5-19-6-9-22)13-17(23)20-14-10-15(25-2)12-16(11-14)26-3;/h10-12,19H,4-9,13H2,1-3H3,(H,20,23);1H.
What are the key properties of N-(3,5-dimethoxyphenyl)-2-[methyl-(3-oxo-3-piperazin-1-ylpropyl)amino]acetamide;hydrochloride?
N-(3,5-dimethoxyphenyl)-2-[methyl-(3-oxo-3-piperazin-1-ylpropyl)amino]acetamide;hydrochloride has a molecular weight of 400.91 g/mol, XLogP of 0.82, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethoxyphenyl)-2-[methyl-(3-oxo-3-piperazin-1-ylpropyl)amino]acetamide;hydrochloride is sourced from PubChem (CID 120982133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).